4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide

C33H39N3O7 — CID 155296763

About 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide

4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide (PubChem CID 155296763) has the molecular formula C33H39N3O7 and a molecular weight of 589.69 g/mol. Its IUPAC name is 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide.

Molecular Properties

• Compound Name: 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide
• PubChem CID: 155296763
• Molecular Formula: C33H39N3O7
• Molecular Weight: 589.69 g/mol
• Exact Mass: 589.28
• IUPAC Name: 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide
• SMILES: CC1(C)CC(C)(C)C1NC(=O)c1ccc(OCCCCCOc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1
• InChI: InChI=1S/C33H39N3O7/c1-32(2)19-33(3,4)31(32)35-27(38)20-8-10-21(11-9-20)42-16-6-5-7-17-43-22-12-13-23-24(18-22)30(41)36(29(23)40)25-14-15-26(37)34-28(25)39/h8-13,18,25,31H,5-7,14-17,19H2,1-4H3,(H,35,38)(H,34,37,39)
• InChIKey: CWGMQYYSIVEMJI-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 131.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	589.69
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide?

The IUPAC name of 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide (CID 155296763) is 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide.

What is the SMILES notation for 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide?

The canonical SMILES for 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide is CC1(C)CC(C)(C)C1NC(=O)c1ccc(OCCCCCOc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1.

What is the InChIKey of 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide?

The InChIKey is CWGMQYYSIVEMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N3O7/c1-32(2)19-33(3,4)31(32)35-27(38)20-8-10-21(11-9-20)42-16-6-5-7-17-43-22-12-13-23-24(18-22)30(41)36(29(23)40)25-14-15-26(37)34-28(25)39/h8-13,18,25,31H,5-7,14-17,19H2,1-4H3,(H,35,38)(H,34,37,39).

What are the key properties of 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide?

4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide has a molecular weight of 589.69 g/mol, XLogP of 4.27, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide is sourced from PubChem (CID 155296763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).